SMILES:
Cl.O=C1COc2ccc(CNC3CCN(CC4Cn5c(=O)ccc6ncc(Cl)c4c65)CC3)nc2N1Molecular Processing
Molecular formula
C24H26Cl2N6O3
Molecular weight
517.42
Exact mass
516.1443
XLogP
2.55
TPSA
101.38
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
135.67
Supplementary Information
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